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Information card for entry 7037196
Preview
Coordinates | 7037196.cif |
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Original paper (by DOI) | HTML |
Formula | C42 H30 F4 Ir N5 S2 |
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Calculated formula | C42 H30 F4 Ir N5 S2 |
SMILES | [Ir]123([n]4c(c5nc(c6c(sc(c6)C)C)c(n15)c1c(sc(c1)C)C)cccc4)([n]1c(c4c2cc(F)cc4F)cccc1)[n]1c(c2c3cc(F)cc2F)cccc1 |
Title of publication | Two bisthienylethene-Ir(iii) complexes showing acid/base-induced structural transformation and on-off luminescence switching in solution. |
Authors of publication | Cao, Deng-Ke; Hu, Jiong-Sheng; Li, Min-Qiang; Gong, Dan-Ping; Li, Xiao-Xiong; Ward, Michael D. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 48 |
Pages of publication | 21008 - 21015 |
a | 19.722 ± 0.012 Å |
b | 10.353 ± 0.007 Å |
c | 20.409 ± 0.013 Å |
α | 90° |
β | 113.573 ± 0.011° |
γ | 90° |
Cell volume | 3819 ± 4 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0966 |
Residual factor for significantly intense reflections | 0.0496 |
Weighted residual factors for significantly intense reflections | 0.1082 |
Weighted residual factors for all reflections included in the refinement | 0.1276 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.998 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7037196.html
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